mod_analytic::analytic Type Reference

Define tyoe analytic interactions (Debye-Huckel/crowders) More...

Collaboration diagram for mod_analytic::analytic:

Public Attributes
real(kind=8), dimension(:,:), pointer	parray_nrj
	define the arrays to store energy of interaction and force Could use 2 dimension array, to store for different types / stoke_radius
real(kind=8), dimension(:,:), pointer	parray_force
real(kind=8), dimension(:,:), pointer	parray_nrj_hom_charged_surf
real(kind=8), dimension(:,:), pointer	parray_force_hom_charged_surf
integer	type
	type of the array
integer	nbbin
	Array properties, nbbin.
real(kind=8)	max_size
real(kind=8)	h
real(kind=8)	dh_radius
	1 solute representation, already in protein a bit useless becasue need the sum of the radius
real(kind=8)	vol_radius
real(kind=8)	rep_radius
real(kind=8)	epfct
	NJB: add scaling factor like grid-based electrostatic routines.
real(kind=8)	surface_charge_dens
	in case of a homogeneously charged surface
real(kind=8)	surface_prefct
real(kind=8)	ki
	Store ki, bjerrum usefull quantity independent of stoke radius.
real(kind=8)	bjerrum
real(kind=8)	ionic
integer	nbtypes
	Number of different types of solutes.
logical	gouy_chapman

Detailed Description

Define tyoe analytic interactions (Debye-Huckel/crowders)

Member Data Documentation

bjerrum

real ( kind=8 ) mod_analytic::analytic::bjerrum

dh_radius

real(kind=8) mod_analytic::analytic::dh_radius

1 solute representation, already in protein a bit useless becasue need the sum of the radius

epfct

real(kind=8) mod_analytic::analytic::epfct

NJB: add scaling factor like grid-based electrostatic routines.

gouy_chapman

logical mod_analytic::analytic::gouy_chapman

h

real(kind=8) mod_analytic::analytic::h

ionic

real ( kind=8 ) mod_analytic::analytic::ionic

ki

real ( kind=8 ) mod_analytic::analytic::ki

Store ki, bjerrum usefull quantity independent of stoke radius.

max_size

real(kind=8) mod_analytic::analytic::max_size

nbbin

integer mod_analytic::analytic::nbbin

Array properties, nbbin.

nbtypes

integer mod_analytic::analytic::nbtypes

Number of different types of solutes.

parray_force

real(kind=8), dimension(:,:), pointer mod_analytic::analytic::parray_force

parray_force_hom_charged_surf

real(kind=8), dimension(:,:), pointer mod_analytic::analytic::parray_force_hom_charged_surf

parray_nrj

real(kind=8), dimension(:,:), pointer mod_analytic::analytic::parray_nrj

define the arrays to store energy of interaction and force Could use 2 dimension array, to store for different types / stoke_radius

parray_nrj_hom_charged_surf

real(kind=8), dimension(:,:), pointer mod_analytic::analytic::parray_nrj_hom_charged_surf

rep_radius

real(kind=8) mod_analytic::analytic::rep_radius

surface_charge_dens

real(kind=8) mod_analytic::analytic::surface_charge_dens

in case of a homogeneously charged surface

surface_prefct

real(kind=8) mod_analytic::analytic::surface_prefct

type

integer mod_analytic::analytic::type

type of the array

vol_radius

real(kind=8) mod_analytic::analytic::vol_radius

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The documentation for this type was generated from the following file:

• mod_analytic.f90